8-fluoro-N-methyloctane-1-sulfonamide

C9H20FNO2S — CID 91331565

IUPAC8-fluoro-N-methyloctane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCCCCCF
InChIInChI=1S/C9H20FNO2S/c1-11-14(12,13)9-7-5-3-2-4-6-8-10/h11H,2-9H2,1H3
InChIKeyMUHAFPWXOJFUDH-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.85
Rot. Bonds9

About 8-fluoro-N-methyloctane-1-sulfonamide

8-fluoro-N-methyloctane-1-sulfonamide (PubChem CID 91331565) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is 8-fluoro-N-methyloctane-1-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-methyloctane-1-sulfonamide
PubChem CID91331565
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC Name8-fluoro-N-methyloctane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCCCCCF
InChIInChI=1S/C9H20FNO2S/c1-11-14(12,13)9-7-5-3-2-4-6-8-10/h11H,2-9H2,1H3
InChIKeyMUHAFPWXOJFUDH-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyloctane-1-sulfonamide?
The IUPAC name of 8-fluoro-N-methyloctane-1-sulfonamide (CID 91331565) is 8-fluoro-N-methyloctane-1-sulfonamide.
What is the SMILES notation for 8-fluoro-N-methyloctane-1-sulfonamide?
The canonical SMILES for 8-fluoro-N-methyloctane-1-sulfonamide is CNS(=O)(=O)CCCCCCCCF.
What is the InChIKey of 8-fluoro-N-methyloctane-1-sulfonamide?
The InChIKey is MUHAFPWXOJFUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-11-14(12,13)9-7-5-3-2-4-6-8-10/h11H,2-9H2,1H3.
What are the key properties of 8-fluoro-N-methyloctane-1-sulfonamide?
8-fluoro-N-methyloctane-1-sulfonamide has a molecular weight of 225.33 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyloctane-1-sulfonamide is sourced from PubChem (CID 91331565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).